(4R,5S,6S)-3-((3S,5S)-1-(5-(2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetamido)pentyl)-5-(dimethylcarbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid | 1228544-08-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酰胺类
• 英文名称: (4R,5S,6S)-3-((3S,5S)-1-(5-(2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetamido)pentyl)-5-(dimethylcarbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• 英文别名: (4R,5S,6S)-3-[(3S,5S)-1-[5-[[2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyl]oxypropyl]phenoxy]acetyl]amino]pentyl]-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
• CAS: 1228544-08-8
• 化学式: C₅₄H₇₅N₅O₁₃S
• 分子量: 1034.28
• InChiKey: JBXRDXLCVWXFLO-ZKHMSZPBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  73
• 可旋转键数：
  26
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  247
• 氢给体数：
  3
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  (S)-((R)-3-(3,4-dimethoxyphenyl)-1-(3-(2-oxo-2-(5-oxopentylamino)ethoxy)phenyl)propyl) 1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate 、 美罗培南 在 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 生成 (4R,5S,6S)-3-((3S,5S)-1-(5-(2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetamido)pentyl)-5-(dimethylcarbamoyl)pyrrolidin-3-ylthio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  参考文献：
  名称：

  [EN] ANTIMICROBIALS
  [FR] AGENTS ANTIMICROBIENS

  摘要：

  公开号：

  WO2010065110A3

文献信息

• ANTIMICROBIALS
  申请人：Mutz Mitchell W.

  公开号：US20120022040A1

  公开（公告）日：2012-01-26

  Compounds useful as antimicrobials are provided, as are methods of use and preparation of such compounds and compositions containing such compounds. In one embodiment, the compounds are derivatives having a carbapenem core, and are useful for treating a microorganism infection.
• [EN] ANTIMICROBIALS<br/>[FR] AGENTS ANTIMICROBIENS
  申请人：AMPLYX PHARMACEUTICALS INC

  公开号：WO2010065110A3

  公开（公告）日：2010-09-16